CHEBI:2361 - abacavir sulfate

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ChEBI Name abacavir sulfate
ChEBI ID CHEBI:2361
Definition An azaheterocycle sulfate salt that is the sulfate salt of the HIV-1 reverse transcriptase inhibitor abacavir.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula 2C14H18N6O.H2O4S
Net Charge 0
Average Mass 670.74460
Monoisotopic Mass 670.27580
InChI InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
InChIKey WMHSRBZIJNQHKT-FFKFEZPRSA-N
SMILES OS(O)(=O)=O.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
ChEBI Ontology
Outgoing abacavir sulfate (CHEBI:2361) has functional parent abacavir (CHEBI:421707)
abacavir sulfate (CHEBI:2361) is a azaheterocycle sulfate salt (CHEBI:38017)
IUPAC Name
bis({(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol) sulfate
Synonym Source
Abacavir sulfate KEGG COMPOUND
Manual Xrefs Databases
AU2003242983 Patent
D00891 KEGG DRUG
JP2010189419 Patent
WO2004089952 Patent
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Registry Number Type Source
188062-50-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11082806 PubMed citation Europe PMC
11366289 PubMed citation Europe PMC
17541065 PubMed citation Europe PMC
20575592 PubMed citation Europe PMC
21648134 PubMed citation Europe PMC
23264939 PubMed citation Europe PMC
24751900 PubMed citation Europe PMC
Last Modified
28 July 2014